General Information of the Compound
Compound ID
CP0334283
Compound Name
8-[1-[2-(4-acetylpiperazin-1-yl)ethoxy]dibenzothiophen-4-yl]-2-morpholin-4-ylchromen-4-one
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Structure
Formula
C33H33N3O5S
Molecular Weight
583.71
Canonical SMILES
CC(=O)N1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
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InChI
InChI=1S/C33H33N3O5S/c1-22(37)35-13-11-34(12-14-35)15-20-40-28-10-9-24(33-31(28)26-5-2-3-8-29(26)42-33)23-6-4-7-25-27(38)21-30(41-32(23)25)36-16-18-39-19-17-36/h2-10,21H,11-20H2,1H3
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InChIKey
SXBFFWXSDNBDGZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.2074
Rotatable Bonds
6
Heavy Atom Count
42
Polar Areas
75.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
42

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 71819426
ChEMBL ID
CHEMBL2420287
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00955, DNA-dependent protein kinase catalytic subunit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 166 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 33000 nM
   TI
   LI
   LO
   TS